1-[6-azanyl-2-(2,2-dimethyl-3-phosphono-propyl)-7H-purin-8-yl]propylphosphonic acid

Systemtic Name: 1-[6-azanyl-2-(2,2-dimethyl-3-phosphono-propyl)-7H-purin-8-yl]propylphosphonic acid Openeye Name: 1-[6-amino-2-(2,2-dimethyl-3-phosphono-propyl)-7H-purin-8-yl]propylphosphonic acid CAS Name: 1-[6-amino-2-(2,2-dimethyl-3-phosphonopropyl)-7H-purin-8-yl]propylphosphonic acid IUPAC Name: 1-[6-amino-2-(2,2-dimethyl-3-phosphonopropyl)-7H-purin-8-yl]propylphosphonic acid Traditional Name: 1-[6-amino-2-(2,2-dimethyl-3-phosphono-propyl)-7H-purin-8-yl]propylphosphonic acid Formula: C13H23N5O6P2 MolecularWeight: 407.299142

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=NC2=C(N1)C(=NC(=N2)CC(C)(C)CP(=O)(O)O)N)P(=O)(O)O

Isomeric SMILES

CCC(C1=NC2=C(N1)C(=NC(=N2)CC(C)(C)CP(=O)(O)O)N)P(=O)(O)O

InChI

InChI=1S/C13H23N5O6P2/c1-4-7(26(22,23)24)11-17-9-10(14)15-8(16-12(9)18-11)5-13(2,3)6-25(19,20)21/h7H,4-6H2,1-3H3,(H2,19,20,21)(H2,22,23,24)(H3,14,15,16,17,18)